ESTUDO DO MECANISMO ELETROQUÍMICO DO FENOL E DO ÁCIDO CAFEICO: UMA ABORDAGEM UTILIZANDO VOLTAMETRIA CÍCLICA E SIMULAÇÃO COMPUTACIONAL

Abstract

Natural products are currently the subject of many studies, both chemical and pharmacological, due to their ability to interact with various molecules, such as proteins or nucleic acids. Phenolic compounds, present in many natural products, such as vegetables and fruits, have a high antioxidant potential that neutralizes free radicals in the body, making them beneficial to health. These compounds are derived from phenol, a compound that has a benzene ring attached to a hydroxyl group. Due to the simplicity of the molecule and its availability for electrochemical study, experiments were conducted on the mechanistic nature of this compound. Caffeic acid is a phenolic and antioxidant compound found in many plants and foods. It is widely used in electrochemical studies and in the cosmetic industry for use in the treatment of aging due to its antirradical property. In this work, tests were conducted on the electrochemical behavior of phenol and caffeic acid, through cyclic voltammetry and computational simulations by Digielch® software, with the aim of its mechanistic study. The parameters analyzed were: variation of concentration, scanning speed and pH. For phenol, the results showed an uninformed adsorbent behavior. On the other hand, the data obtained by computer simulations corroborate the mechanism proposed in the literature. For caffeic acid, experimental tests presented results that agree with the literature. No computational tests have been performed due to the time required for adjustment.